2-((2-((Dimethylamino)methyl)phenyl)thio)-1,4-benzenediol (Z)-2-butenedioate (1:1) (salt)
[CAS# 127906-29-0]

Identification

• Name: 2-((2-((Dimethylamino)methyl)phenyl)thio)-1,4-benzenediol (Z)-2-butenedioate (1:1) (salt)
• Synonyms: But-2-Enedioic Acid; 2-[[2-(Dimethylaminomethyl)Phenyl]Thio]Benzene-1,4-Diol; But-2-Enedioic Acid; 2-[[2-(Dimethylaminomethyl)Phenyl]Thio]Hydroquinone; 1,4-Benzenediol, 2-((2-((Dimethylamino)Methyl)Phenyl)Thio)-, (Z)-2-Butenedioate (1:1) (Salt)
• Molecular Formula: C₁₉H₂₁NO₆S
• Molecular Weight: 391.44
• CAS Registry Number: 127906-29-0
• SMILES: C2=C(SC1=CC=CC=C1CN(C)C)C(=CC=C2O)O.O=C(O)\C=C\C(=O)O
• InChI: 1S/C15H17NO2S.C4H4O4/c1-16(2)10-11-5-3-4-6-14(11)19-15-9-12(17)7-8-13(15)18;5-3(6)1-2-4(7)8/h3-9,17-18H,10H2,1-2H3;1-2H,(H,5,6)(H,7,8)/b;2-1+
• InChIKey: VFQRPVBDMLWKFF-WLHGVMLRSA-N

Properties

• Boiling point: 405.1°C at 760 mmHg (Cal.)
• Flash point: 198.8°C (Cal.)